Matter Modeling
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Tyberius
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Developer of the Jaguar electronic structure program at Schrodinger.

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All Questions Answers
Score Newest
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39
What is the closest thing we have to "the" universal density functional?
Apr 28, 2020
question
30
Why does orbital-free DFT scale linearly with system size?
Apr 30, 2020
question
27
How to determine, a priori, whether a compound has multireference character?
Apr 28, 2020
question
23
When do relativistic effects need to be explicitly included?
May 1, 2020
answer
23
What are the main computational frameworks used in materials modeling?
Apr 29, 2020
question
22
How are charge transfer processes modeled in materials?
May 7, 2020
answer
22
Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome?
Jun 23, 2020
answer
20
What are the types of charge analysis?
Jul 1, 2020
answer
20
What are the types of DFT?
Jul 14, 2020
answer
20
What does B3LYP do well? What does it do badly?
May 2, 2021
Top Meta posts
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Site Name: Molecular and Materials Modeling?
19
Voting (especially upvoting) Matters!
17
Matter Modeling is Graduating!
13
Is education advice on-topic for this site?
11
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69
Is it true that heavy water is not blue?
50
What volume does one mole of an ideal gas occupy?
28
What makes the Cauchy principal value the "correct" value for a integral?
25
Are stronger bonds always shorter?
22
Will there be Community Promotion Ads in 2020, if so when?

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